title: MMsINC: a large-scale chemoinformatics database.
abstract: MMsINC (http://mms.dsfarm.unipd.it/MMsINC/search) is a database of non-redundant, richly annotated and biomedically relevant chemical structures. A primary goal of MMsINC is to guarantee the highest quality and the uniqueness of each entry. MMsINC then adds value to these entries by including the analysis of crucial chemical properties, such as ionization and tautomerization processes, and the in silico prediction of 24 important molecular properties in the biochemical profile of each structure. MMsINC is consequently a natural input for different chemoinformatics and virtual screening applications. In addition, MMsINC supports various types of queries, including substructure queries and the novel 'molecular scissoring' query. MMsINC is interfaced with other primary data collectors, such as PubChem, Protein Data Bank (PDB), the Food and Drug Administration database of approved drugs and ZINC.
authors.affiliation: CRS4 - Bioinformatics Laboratory, Parco Sardegna Ricerche, Pula (CA) 09010, Italy.
authors.forename: Joel
authors.initials: J
authors.lastname: Masciocchi
authors.forename: Gianfranco
authors.initials: G
authors.lastname: Frau
authors.forename: Marco
authors.initials: M
authors.lastname: Fanton
authors.forename: Mattia
authors.initials: M
authors.lastname: Sturlese
authors.forename: Matteo
authors.initials: M
authors.lastname: Floris
authors.forename: Luca
authors.initials: L
authors.lastname: Pireddu
authors.forename: Piergiorgio
authors.initials: P
authors.lastname: Palla
authors.forename: Fabian
authors.initials: F
authors.lastname: Cedrati
authors.forename: Patricia
authors.initials: P
authors.lastname: Rodriguez-Tomé
authors.forename: Stefano
authors.initials: S
authors.lastname: Moro
mesh_terms: D019295:Computational Biology; D016208:Databases, Factual; D008024:Ligands; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D011506:Proteins / Q000737:chemistry
chemical_list: D008024:Ligands; D004364:Pharmaceutical Preparations; D011506:Proteins